N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H19N5O2S — CID 46959975

IUPACN,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)CC1=O
InChIInChI=1S/C16H19N5O2S/c1-19-8-9(6-13(19)22)15(23)20(2)16-18-14-10-7-17-21(3)11(10)4-5-12(14)24-16/h7,9H,4-6,8H2,1-3H3
InChIKeyFDICMUHBNISIQJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.08
Rot. Bonds2

About N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46959975) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46959975
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)CC1=O
InChIInChI=1S/C16H19N5O2S/c1-19-8-9(6-13(19)22)15(23)20(2)16-18-14-10-7-17-21(3)11(10)4-5-12(14)24-16/h7,9H,4-6,8H2,1-3H3
InChIKeyFDICMUHBNISIQJ-UHFFFAOYSA-N
XLogP1.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 46959975) is N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)CC1=O.
What is the InChIKey of N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FDICMUHBNISIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-19-8-9(6-13(19)22)15(23)20(2)16-18-14-10-7-17-21(3)11(10)4-5-12(14)24-16/h7,9H,4-6,8H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46959975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).